4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

C9H5Br2FN2O2S2 — CID 107649952

IUPAC4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H5Br2FN2O2S2/c10-6-2-1-5(3-7(6)12)18(15,16)14-9-13-4-8(11)17-9/h1-4H,(H,13,14)
InChIKeyBQZSPRJLRGCZJS-UHFFFAOYSA-N
MW416.09 g/mol
LogP3.61
Rot. Bonds3

About 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 107649952) has the molecular formula C9H5Br2FN2O2S2 and a molecular weight of 416.09 g/mol. Its IUPAC name is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
PubChem CID107649952
Molecular FormulaC9H5Br2FN2O2S2
Molecular Weight416.09 g/mol
Exact Mass413.81
IUPAC Name4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1ccc(Br)c(F)c1
InChIInChI=1S/C9H5Br2FN2O2S2/c10-6-2-1-5(3-7(6)12)18(15,16)14-9-13-4-8(11)17-9/h1-4H,(H,13,14)
InChIKeyBQZSPRJLRGCZJS-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
CID 54881580
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 60785749
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
3-amino-N-(5-bromo-1,3-thiazol-2-yl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421295
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032
4-bromo-N-[6-(dimethylamino)-3-pyridinyl]-3-fluorobenzenesulfonamide
CID 103709775

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide (CID 107649952) is 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ncc(Br)s1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is BQZSPRJLRGCZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2FN2O2S2/c10-6-2-1-5(3-7(6)12)18(15,16)14-9-13-4-8(11)17-9/h1-4H,(H,13,14).
What are the key properties of 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide?
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 416.09 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107649952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).